(3S)-3-hydroxy-N'-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)butanehydrazide

C17H18N4O2S — CID 166386190

IUPAC(3S)-3-hydroxy-N'-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)butanehydrazide
SMILESCc1nc(NNC(=O)C[C@H](C)O)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C17H18N4O2S/c1-10(22)8-15(23)20-21-16-13-9-14(12-6-4-3-5-7-12)24-17(13)19-11(2)18-16/h3-7,9-10,22H,8H2,1-2H3,(H,20,23)(H,18,19,21)/t10-/m0/s1
InChIKeyWLUJAFWXGDGFKM-JTQLQIEISA-N
MW342.42 g/mol
LogP2.88
Rot. Bonds5

About (3S)-3-hydroxy-N'-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)butanehydrazide

(3S)-3-hydroxy-N'-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)butanehydrazide (PubChem CID 166386190) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is (3S)-3-hydroxy-N'-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)butanehydrazide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N'-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)butanehydrazide
PubChem CID166386190
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(3S)-3-hydroxy-N'-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)butanehydrazide
SMILESCc1nc(NNC(=O)C[C@H](C)O)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C17H18N4O2S/c1-10(22)8-15(23)20-21-16-13-9-14(12-6-4-3-5-7-12)24-17(13)19-11(2)18-16/h3-7,9-10,22H,8H2,1-2H3,(H,20,23)(H,18,19,21)/t10-/m0/s1
InChIKeyWLUJAFWXGDGFKM-JTQLQIEISA-N
XLogP2.88
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide
CID 133416689
1-methoxy-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
CID 133415293
5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide
CID 75399999
3-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 1191481
N-(butan-2-ylideneamino)-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4640728
2-methyl-1-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]oxypropan-2-ol
CID 100668691
N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2413300
N-(methylcarbamoyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7888342
N-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 16541500
2-methyl-6-phenyl-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 18269381
N-[3-[[(2-chlorophenyl)carbamoylamino]methyl]phenyl]-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 166379768
N-(4-fluorophenyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 18283834

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N'-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)butanehydrazide?
The IUPAC name of (3S)-3-hydroxy-N'-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)butanehydrazide (CID 166386190) is (3S)-3-hydroxy-N'-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)butanehydrazide.
What is the SMILES notation for (3S)-3-hydroxy-N'-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)butanehydrazide?
The canonical SMILES for (3S)-3-hydroxy-N'-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)butanehydrazide is Cc1nc(NNC(=O)C[C@H](C)O)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of (3S)-3-hydroxy-N'-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)butanehydrazide?
The InChIKey is WLUJAFWXGDGFKM-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-10(22)8-15(23)20-21-16-13-9-14(12-6-4-3-5-7-12)24-17(13)19-11(2)18-16/h3-7,9-10,22H,8H2,1-2H3,(H,20,23)(H,18,19,21)/t10-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N'-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)butanehydrazide?
(3S)-3-hydroxy-N'-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)butanehydrazide has a molecular weight of 342.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N'-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)butanehydrazide is sourced from PubChem (CID 166386190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).